1-(3-ethylcyclohexyl)-2,2-dimethoxyethanamine

C12H25NO2 — CID 79493446

IUPAC1-(3-ethylcyclohexyl)-2,2-dimethoxyethanamine
SMILESCCC1CCCC(C(N)C(OC)OC)C1
InChIInChI=1S/C12H25NO2/c1-4-9-6-5-7-10(8-9)11(13)12(14-2)15-3/h9-12H,4-8,13H2,1-3H3
InChIKeyDKHDXDDNOJTXIT-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.15
Rot. Bonds5

About 1-(3-ethylcyclohexyl)-2,2-dimethoxyethanamine

1-(3-ethylcyclohexyl)-2,2-dimethoxyethanamine (PubChem CID 79493446) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-2,2-dimethoxyethanamine.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-2,2-dimethoxyethanamine
PubChem CID79493446
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-(3-ethylcyclohexyl)-2,2-dimethoxyethanamine
SMILESCCC1CCCC(C(N)C(OC)OC)C1
InChIInChI=1S/C12H25NO2/c1-4-9-6-5-7-10(8-9)11(13)12(14-2)15-3/h9-12H,4-8,13H2,1-3H3
InChIKeyDKHDXDDNOJTXIT-UHFFFAOYSA-N
XLogP2.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-1-(3-ethylcyclohexyl)butan-1-amine
CID 116716393
(3-ethylcyclohexyl)-(1-methoxycyclobutyl)methanamine
CID 116714053
1-(4-ethylcycloheptyl)-2-methylpropan-1-amine
CID 79298507
2-cyclobutyl-1-(3-ethylcyclohexyl)ethanol
CID 65457880
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylcyclohexyl)methanamine
CID 104992511
1-(3-ethylcyclohexyl)-4-methoxy-N-methylpentan-1-amine
CID 105156121
(3-ethylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105156191
(3-ethylcyclohexyl)-(oxolan-2-yl)methanamine
CID 65331148
2-cyclopentylsulfanyl-1-(3-ethylcyclohexyl)ethanamine
CID 65139249
1-(3-ethylcyclohexyl)-2,2-difluoroethanol
CID 112699179
1-(3-ethylcyclohexyl)-3-methylsulfonylpropan-1-amine
CID 65415549
(3-ethylcyclohexyl)-(3-methyl-1-adamantyl)methanamine
CID 104992588

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-2,2-dimethoxyethanamine?
The IUPAC name of 1-(3-ethylcyclohexyl)-2,2-dimethoxyethanamine (CID 79493446) is 1-(3-ethylcyclohexyl)-2,2-dimethoxyethanamine.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-2,2-dimethoxyethanamine?
The canonical SMILES for 1-(3-ethylcyclohexyl)-2,2-dimethoxyethanamine is CCC1CCCC(C(N)C(OC)OC)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-2,2-dimethoxyethanamine?
The InChIKey is DKHDXDDNOJTXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-9-6-5-7-10(8-9)11(13)12(14-2)15-3/h9-12H,4-8,13H2,1-3H3.
What are the key properties of 1-(3-ethylcyclohexyl)-2,2-dimethoxyethanamine?
1-(3-ethylcyclohexyl)-2,2-dimethoxyethanamine has a molecular weight of 215.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-2,2-dimethoxyethanamine is sourced from PubChem (CID 79493446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).